C139H146Cl4F4N32O19 — CID 157200661
1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethenyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 157200661) has the molecular formula C139H146Cl4F4N32O19 and a molecular weight of 2786.71 g/mol. Its IUPAC name is 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethenyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.
| Compound Name | 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethenyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide |
|---|---|
| PubChem CID | 157200661 |
| Molecular Formula | C139H146Cl4F4N32O19 |
| Molecular Weight | 2786.71 g/mol |
| Exact Mass | 2783.01 |
| IUPAC Name | 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethenyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide |
| SMILES | C=Cc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.CC(C)(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC1(C)CC1N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCOC2)c2ccccc12 |
| InChI | InChI=1S/C25H27ClFN5O3.C24H25ClFN5O3.C23H23ClFN5O4.C23H25ClFN5O3.C22H24N6O3.C22H22N6O3/c26-19-11-6-7-16(23(19)27)13-29-21(33)14-31(17-8-2-1-3-9-17)22(34)15-32-20-12-5-4-10-18(20)24(30-32)25(28)35;1-24(2)10-18(24)30(12-19(32)28-11-14-6-5-8-16(25)21(14)26)20(33)13-31-17-9-4-3-7-15(17)22(29-31)23(27)34;24-17-6-3-4-14(21(17)25)10-27-19(31)11-29(15-8-9-34-13-15)20(32)12-30-18-7-2-1-5-16(18)22(28-30)23(26)33;1-23(2,3)29(12-18(31)27-11-14-7-6-9-16(24)20(14)25)19(32)13-30-17-10-5-4-8-15(17)21(28-30)22(26)33;2*1-2-14-6-5-9-18(24-14)25-19(29)12-27(15-10-11-15)20(30)13-28-17-8-4-3-7-16(17)21(26-28)22(23)31/h4-7,10-12,17H,1-3,8-9,13-15H2,(H2,28,35)(H,29,33);3-9,18H,10-13H2,1-2H3,(H2,27,34)(H,28,32);1-7,15H,8-13H2,(H2,26,33)(H,27,31);4-10H,11-13H2,1-3H3,(H2,26,33)(H,27,31);3-9,15H,2,10-13H2,1H3,(H2,23,31)(H,24,25,29);2-9,15H,1,10-13H2,(H2,23,31)(H,24,25,29) |
| InChIKey | AQTINOUVMBFIQY-UHFFFAOYSA-N |
| XLogP | 14.53 |
| TPSA | 696.93 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2786.71 |
| LogP ≤ 5 | 14.53 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 33 |